2-Benzothiazoleacetyl chloride
Basic information
- CAS
500532-59-2- Standard SMILES
O=C(Cl)Cc1nc2ccccc2s1- InChIKey
HHXXZBQCAQIFRG-UHFFFAOYSA-N- Molecular formula
- C9H6ClNOS
- Average molar mass
- 211.67 g/mol
- Monoisotopic mass
- 210.9858627
Names & identifiers
- Preferred name
- 2-Benzothiazoleacetyl chloride
- IUPAC
- 2-(1,3-benzothiazol-2-yl)acetyl chloride
- English name
- 2-Benzothiazoleacetylchloride(9CI)
- Molecular formula
- C9H6ClNOS
- Molecular weight
- 211.67
Names & synonyms
500532-59-22-(Benzo[d]thiazol-2-yl)acetyl chloride2-Benzothiazoleacetyl chloride1,3-benzothiazol-2-ylacetyl chlorideDTXSID40288628NSC56996NSC-569962-(Benzo[d]thiazol-2-yl)acetylchloride(1,3-Benzothiazol-2-yl)acetyl chlorideDB-2259022-Benzothiazoleacetylchloride(9CI)
Database identifiers
- CAS
500532-59-2- PubChem CID
- 245258
- DTXSID
DTXSID40288628
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
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Compound notes
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